4-(哌嗪-1-磺酰基)-吗啉 | 5625-93-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 4-(哌嗪-1-磺酰基)-吗啉
• 英文名称: 4-(piperazin-1-ylsulfonyl)morpholine
• 英文别名: 4-(Piperazine-1-sulfonyl)-morpholine；4-piperazin-1-ylsulfonylmorpholine
• CAS: 5625-93-4
• 化学式: C₈H₁₇N₃O₃S
• mdl: MFCD05995674
• 分子量: 235.307
• InChiKey: GUOAAJLZOUGPKJ-UHFFFAOYSA-N

物化性质

• 沸点：
  402.8±45.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  70.3
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  4-(哌嗪-1-磺酰基)-吗啉 、 (S)-6-methyl-N-(1-(5-oxo-1-phenylpentan-2-ylcarbamoyl)cyclopentyl)benzo[b]thiophene-2-carboxamide 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 生成 6-methylbenzo[b]thiophene-2-carboxylic acid (1-{(S)-1-benzyl-4-[4-(morpholine-4-sulfonyl)piperazin-1-yl]butylcarbamoyl}cyclopentyl)amide
  参考文献：
  名称：

  Structure−Activity Relationships of 6-Methyl-benzo[b]thiophene-2-carboxylic Acid (1-{(S)-1-Benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl}cyclopentyl)amide, Potent Antagonist of the Neurokinin-2 Receptor

  摘要：

  As part of a project aimed at the identification of a series of small, orally available antagonists for the hNK(2) receptor, starting from one of our capped dipeptide libraries, we succeeded in the chemical optimization of the first identified leads, finally producing a class of molecules with significant activity in our animal model after iv administration. We herein report the results of further chemical modifications made to reduce the overall peptide character of this series and the consequent improvement of their in vivo antagonist activity. The present work identified 6-methylbenzo[b]thiophene-2-carboxylic acid (1-{(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl}cyclopentyl)amide (10i), endowed with subnanomolar potency in all the in vitro tests and being highly potent and of long duration upon in vivo testing after both iv and id dosing.

  DOI：

  10.1021/jm100176s
• 作为产物：
  描述：

  4-(morpholine-4-sulfonyl)-piperazine-1-carboxylic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 4-(哌嗪-1-磺酰基)-吗啉
  参考文献：
  名称：

  Discovery of Novel Chromone Derivatives Containing a Sulfonamide Moiety as Anti-ToCV Agents through the Tomato Chlorosis Virus Coat Protein-Oriented Screening Method

  摘要：

  DOI：

  10.1021/acs.jafc.1c02467

文献信息

• [EN] IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES<br/>[FR] COMPOSÉS D'IMIDAZOPYRIDAZINE UTILES EN TANT QUE MODULATEURS DE RÉPONSES D'IL-12, IL-23 ET/OU IFN ALPHA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2020180907A1

  公开（公告）日：2020-09-10

  Compounds having the following formula I: or a stereoisomer or a pharmaceutically-acceptable salt thereof, wherein all substituents are as defined herein, are useful in the modulation of IL-12, IL-23 and/or IFNα by acting on Tyk-2 to cause signal transduction inhibition.

  具有以下化学式I的化合物，或其立体异构体或药用盐，在此定义的所有取代基条件下，可用于通过作用于Tyk-2从而引起信号转导抑制，从而调节IL-12、IL-23和/或IFNα。
• [EN] SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE<br/>[FR] DERIVES DE SULFONYLE UTILISES COMME INHIBITEURS DE L'HISTONE DEACETYLASE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2003076422A1

  公开（公告）日：2003-09-18

  This invention comprises the novel compounds of formula (I) wherein n, m, t, R1, R2, R3, R4, L, Q, X, Y, Z and have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.

  本发明涉及一种新型化合物，其化学式为（I），其中n，m，t，R1，R2，R3，R4，L，Q，X，Y，Z均有定义的含义，具有组蛋白去乙酰化酶抑制酶活性；它们的制备，含有它们的组合物以及它们作为药物的用途。
• Sulfonyl-Derivatives as novel inhibitors of histone deacetylase
  申请人：Van Emelen Kristof

  公开号：US20050113373A1

  公开（公告）日：2005-05-26

  This invention comprises the novel compounds of formula (I) wherein n, m, t, R 1 , R 2 , R 3 , R 4 , L, Q, X, Y, Z and have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.

  本发明涉及具有组合式（I）中所定义的n，m，t，R1，R2，R3，R4，L，Q，X，Y，Z的新型化合物，具有组蛋白去乙酰化酶抑制酶活性；它们的制备，含有它们的组合物以及它们作为药物的用途。
• SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE
  申请人：Emelen Van Kristof

  公开号：US20070142393A1

  公开（公告）日：2007-06-21

  This invention comprises the novel compounds of formula (I) wherein n, m, t, R 1 , R 2 , R 3 , R 4 , L, Q, X, Y, Z and have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.

  这项发明涉及公式（I）中的新化合物，其中n，m，t，R1，R2，R3，R4，L，Q，X，Y，Z和具有定义的含义，具有组织脱乙酰化酶抑制酶活性；它们的制备，包含它们的组合物以及它们作为药物的用途。
• Sulfonyl-Derivatives as Novel Inhibitors or Histone Deacetylase
  申请人：Van Emelen Kristof

  公开号：US20080108601A1

  公开（公告）日：2008-05-08

  This invention comprises the novel compounds of formula (I) wherein n, m, t, R 1 , R 2 , R 3 , R 4 , L, Q, X, Y, Z and have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.

  这项发明包括具有组成式（I）的新化合物，其中n，m，t，R1，R2，R3，R4，L，Q，X，Y，Z和具有定义的含义，具有组蛋白去乙酰化酶抑制酶活性；它们的制备，含有它们的组合物以及它们作为药物的用途。